8-Heptylsulfanyl-1,3-Dimethyl-7H-Purine-2,6-Dione
[CAS# 73908-75-5]

Identification

• Name: 8-Heptylsulfanyl-1,3-Dimethyl-7H-Purine-2,6-Dione
• Synonyms: 8-(Heptylthio)-1,3-Dimethyl-7H-Purine-2,6-Dione; 8-(Heptylthio)-1,3-Dimethyl-7H-Purine-2,6-Quinone; 1H-Purine-2,6-Dione, 8-(Heptylthio)-3,7-Dihydro-1,3-Dimethyl- (9Ci)
• Molecular Formula: C₁₄H₂₂N₄O₂S
• Molecular Weight: 310.41
• CAS Registry Number: 73908-75-5
• SMILES: C(SC2=NC1=C(C(N(C(N1C)=O)C)=O)[NH]2)CCCCCC
• InChI: 1S/C14H22N4O2S/c1-4-5-6-7-8-9-21-13-15-10-11(16-13)17(2)14(20)18(3)12(10)19/h4-9H2,1-3H3,(H,15,16)
• InChIKey: FFKZSFMDWWVVHP-UHFFFAOYSA-N

Properties

• Density: 1.271g/cm³ (Cal.)
• Boiling point: 501.971°C at 760 mmHg (Cal.)
• Flash point: 257.383°C (Cal.)